SCHEMBL3511495

SCHEMBL3511495

Cc1n[c]sc1-c1nc(N(C)C)sc1C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
ADORA2A P29274 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3514868 0.82 PIK3CA (0.32)
SCHEMBL3513193 0.80 BTK (0.32)
SCHEMBL3513465 0.80 CNR1 (0.37)
SCHEMBL3514552 0.75 PIK3CA (0.32)
SCHEMBL3512953 0.75 PIK3CD (0.31)
SCHEMBL3510853 0.74 BTK (0.47) ALDH1A1
SCHEMBL3512226 0.74 PIK3CD (0.36)
SCHEMBL3513647 0.74 CCNA2 (0.39) ALDH1A1HPGDADORA2A
SCHEMBL3514392 0.72 CDC7 (0.50) ALDH1A1HPGD
SCHEMBL3513687 0.72 CDC7 (0.34)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8940771-B2 Organic compounds NOVARTIS AG (CH) 2015-01-27 US disclosed
EP-2240475-B1 THIAZOLE DERIVATIVES USED AS PI 3 KINASE INHIBITORS NOVARTIS AG (CH) 2013-09-25 EP disclosed
US-20100298286-A1 Organic Compounds NOVARTIS AG 2010-11-25 US disclosed
EP-2240475-A1 THIAZOLE DERIVATIVES USED AS PI 3 KINASE INHIBITORS Novartis AG (CH) 2010-10-20 EP disclosed
EP-2238134-A2 BIS-THIAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS Novartis AG (CH) 2010-10-13 EP disclosed
WO-2009080694-A1 THIAZOLE DERIVATIVES USED AS PI 3 KINASE INHIBITORS NOVARTIS AG (CH) 2009-07-02 WO disclosed
WO-2009080705-A2 BIS-THIAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS NOVARTIS AG (CH) 2009-07-02 WO disclosed
US-20090163469-A1 Organic Compounds NOVARTIS AG 2009-06-25 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100298286-A1 Organic Compounds PIK3CA, PI4KB, PIK3CB ALDH1A1 1030/4885HPGD 2679/4885ADORA2A 2722/4885
US-20090163469-A1 Organic Compounds PIK3C3, PIK3CA, PIK3CD ALDH1A1 1680/4885HPGD 2305/4885ADORA2A 3843/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.